| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:41 UTC |
|---|
| Update Date | 2025-03-21 18:03:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047413 |
|---|
| Frequency | 70.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8ClNO4 |
|---|
| Molecular Mass | 229.0142 |
|---|
| SMILES | O=C(CO)Nc1ccc(Cl)cc1C(=O)O |
|---|
| InChI Key | KRCXJEFYKVWFPI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylaminobenzoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsalcohols and polyolsanilidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenealcoholvinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
